ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine

C26H55FN2 — CID 142121292

IUPACethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
SMILESC/C=C(\N=C/C(F)=C(\C)CC)N(CC)C(CCCC)CCCC.CC.CC.CC
InChIInChI=1S/C20H37FN2.3C2H6/c1-7-12-14-18(15-13-8-2)23(11-5)20(10-4)22-16-19(21)17(6)9-3;3*1-2/h10,16,18H,7-9,11-15H2,1-6H3;3*1-2H3/b19-17-,20-10+,22-16-;;;
InChIKeyCRSXPVXYYHCGAQ-YMXPDUMXSA-N
MW414.74 g/mol
LogP9.72
Rot. Bonds12

About ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine

ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine (PubChem CID 142121292) has the molecular formula C26H55FN2 and a molecular weight of 414.74 g/mol. Its IUPAC name is ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
PubChem CID142121292
Molecular FormulaC26H55FN2
Molecular Weight414.74 g/mol
Exact Mass414.43
IUPAC Nameethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine
SMILESC/C=C(\N=C/C(F)=C(\C)CC)N(CC)C(CCCC)CCCC.CC.CC.CC
InChIInChI=1S/C20H37FN2.3C2H6/c1-7-12-14-18(15-13-8-2)23(11-5)20(10-4)22-16-19(21)17(6)9-3;3*1-2/h10,16,18H,7-9,11-15H2,1-6H3;3*1-2H3/b19-17-,20-10+,22-16-;;;
InChIKeyCRSXPVXYYHCGAQ-YMXPDUMXSA-N
XLogP9.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
The IUPAC name of ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine (CID 142121292) is ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine.
What is the SMILES notation for ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
The canonical SMILES for ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine is C/C=C(\N=C/C(F)=C(\C)CC)N(CC)C(CCCC)CCCC.CC.CC.CC.
What is the InChIKey of ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
The InChIKey is CRSXPVXYYHCGAQ-YMXPDUMXSA-N. The full InChI is InChI=1S/C20H37FN2.3C2H6/c1-7-12-14-18(15-13-8-2)23(11-5)20(10-4)22-16-19(21)17(6)9-3;3*1-2/h10,16,18H,7-9,11-15H2,1-6H3;3*1-2H3/b19-17-,20-10+,22-16-;;;.
What are the key properties of ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine?
ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine has a molecular weight of 414.74 g/mol, XLogP of 9.72, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[(Z)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]prop-1-enyl]nonan-5-amine is sourced from PubChem (CID 142121292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).